N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine

C13H23NO — CID 142506472

IUPACN,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine
SMILESC=C/C(=C\C(=C)C(C)C)OCCN(C)C
InChIInChI=1S/C13H23NO/c1-7-13(10-12(4)11(2)3)15-9-8-14(5)6/h7,10-11H,1,4,8-9H2,2-3,5-6H3/b13-10+
InChIKeyQTVAZGVLCCIGIT-JLHYYAGUSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds7

About N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine

N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine (PubChem CID 142506472) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine
PubChem CID142506472
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine
SMILESC=C/C(=C\C(=C)C(C)C)OCCN(C)C
InChIInChI=1S/C13H23NO/c1-7-13(10-12(4)11(2)3)15-9-8-14(5)6/h7,10-11H,1,4,8-9H2,2-3,5-6H3/b13-10+
InChIKeyQTVAZGVLCCIGIT-JLHYYAGUSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(3S,4S)-2-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxy-N,N-dimethylethanamine
CID 164736921
2-(2-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 166648988
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68902382
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
CID 68902982
(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
CID 89134065
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N,N-dimethylethanamine
CID 89688794
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
CID 134534485

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine (CID 142506472) is N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine is C=C/C(=C\C(=C)C(C)C)OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine?
The InChIKey is QTVAZGVLCCIGIT-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-13(10-12(4)11(2)3)15-9-8-14(5)6/h7,10-11H,1,4,8-9H2,2-3,5-6H3/b13-10+.
What are the key properties of N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine?
N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine is sourced from PubChem (CID 142506472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).